2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide

C16H26N2OS — CID 43722576

IUPAC2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide
SMILESCCC(C)CC(CC)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C16H26N2OS/c1-4-12(3)10-13(5-2)18-14-8-6-7-9-15(14)20-11-16(17)19/h6-9,12-13,18H,4-5,10-11H2,1-3H3,(H2,17,19)
InChIKeyDCXCVBYPECYHPE-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.89
Rot. Bonds9

About 2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide

2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide (PubChem CID 43722576) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide
PubChem CID43722576
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide
SMILESCCC(C)CC(CC)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C16H26N2OS/c1-4-12(3)10-13(5-2)18-14-8-6-7-9-15(14)20-11-16(17)19/h6-9,12-13,18H,4-5,10-11H2,1-3H3,(H2,17,19)
InChIKeyDCXCVBYPECYHPE-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide
CID 43722596
N-methyl-2-[2-(5-methylheptan-3-ylamino)phenyl]acetamide
CID 43692234
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-chloro-2-methylpropanamide
CID 62727753
2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide
CID 43786495
1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol
CID 54962781
2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722597
2-chloro-N-(5-methylheptan-3-yl)aniline
CID 43095365
2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide
CID 9068077
N-(5-methylheptan-3-yl)-2-methylsulfonylaniline
CID 43724656
2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide
CID 43724150
2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide
CID 9044707

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide (CID 43722576) is 2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide is CCC(C)CC(CC)Nc1ccccc1SCC(N)=O.
What is the InChIKey of 2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide?
The InChIKey is DCXCVBYPECYHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-12(3)10-13(5-2)18-14-8-6-7-9-15(14)20-11-16(17)19/h6-9,12-13,18H,4-5,10-11H2,1-3H3,(H2,17,19).
What are the key properties of 2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide?
2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide has a molecular weight of 294.46 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide is sourced from PubChem (CID 43722576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).